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37830-90-3 | 4,5-Dimethyl-1,3-dioxol-2-one
CAS No: 37830-90-3 Catalog No: AG003KIA MDL No:MFCD00135139
Product Description
Catalog Number:
AG003KIA
Chemical Name:
4,5-Dimethyl-1,3-dioxol-2-one
CAS Number:
37830-90-3
Molecular Formula:
C5H6O3
Molecular Weight:
114.0993
MDL Number:
MFCD00135139
IUPAC Name:
4,5-dimethyl-1,3-dioxol-2-one
InChI:
InChI=1S/C5H6O3/c1-3-4(2)8-5(6)7-3/h1-2H3
InChI Key:
QYIOFABFKUOIBV-UHFFFAOYSA-N
SMILES:
Cc1oc(=O)oc1C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.1g/mol
Monoisotopic Mass:
114.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| New prodrugs of Adefovir and Cidofovir. | Bioorganic & medicinal chemistry 20110601 |
| [Preparation and characterization of (5-methyl-2-oxo-1,3-dioxol-4-yl) methyl thiamine sulfides]. | Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20060301 |
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